5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine

C20H17N5 — CID 70226179

IUPAC5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cn1
InChIInChI=1S/C20H17N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-4,7-11,22H,5-6H2,(H2,21,23)(H,24,25)
InChIKeyXBFAKJOBLOMVDU-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.84
Rot. Bonds2

About 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine

5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine (PubChem CID 70226179) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
PubChem CID70226179
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cn1
InChIInChI=1S/C20H17N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-4,7-11,22H,5-6H2,(H2,21,23)(H,24,25)
InChIKeyXBFAKJOBLOMVDU-UHFFFAOYSA-N
XLogP3.84
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine (CID 70226179) is 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine is Nc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cn1.
What is the InChIKey of 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
The InChIKey is XBFAKJOBLOMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-4,7-11,22H,5-6H2,(H2,21,23)(H,24,25).
What are the key properties of 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?
5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine has a molecular weight of 327.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydro-1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 70226179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).